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Merge pull request #339 from OpenFreeEnergy/release-v0.5.3
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Update deployment envs, user guide to use release 0.5.3.
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dotsdl authored Dec 4, 2024
2 parents f433823 + 6e726f4 commit c32f00d
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Showing 5 changed files with 8 additions and 8 deletions.
4 changes: 2 additions & 2 deletions devtools/conda-envs/alchemiscale-client.yml
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Expand Up @@ -21,12 +21,12 @@ dependencies:
- nest-asyncio

# openmm protocols
- feflow=0.1.0
- feflow=0.1.1

# additional pins
- openmm=8.1.2
- openmmforcefields>=0.14.1
- openff-units=0.2.2

- pip:
- git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.2
- git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.3
4 changes: 2 additions & 2 deletions devtools/conda-envs/alchemiscale-compute.yml
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Expand Up @@ -17,12 +17,12 @@ dependencies:
- async-lru

# openmm protocols
- feflow=0.1.0
- feflow=0.1.1

# additional pins
- openmm=8.1.2
- openmmforcefields>=0.14.1
- openff-units=0.2.2

- pip:
- git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.2
- git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.3
4 changes: 2 additions & 2 deletions devtools/conda-envs/alchemiscale-server.yml
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Expand Up @@ -35,7 +35,7 @@ dependencies:
- cryptography

# openmm protocols
- feflow=0.1.0
- feflow=0.1.1

# additional pins
- openmm=8.1.2
Expand All @@ -46,4 +46,4 @@ dependencies:
- curl # used in healthchecks for API services

- pip:
- git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.2
- git+https://github.com/OpenFreeEnergy/alchemiscale.git@v0.5.3
2 changes: 1 addition & 1 deletion devtools/conda-envs/test.yml
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Expand Up @@ -35,7 +35,7 @@ dependencies:
- cryptography

# openmm protocols
- feflow>=0.1.0
- feflow>=0.1.1

## cli
- click
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2 changes: 1 addition & 1 deletion docs/user_guide.rst
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Expand Up @@ -16,7 +16,7 @@ Clone alchemiscale from Github, and switch to the latest release tag::

$ git clone https://github.com/OpenFreeEnergy/alchemiscale.git
$ cd alchemiscale
$ git checkout v0.5.2
$ git checkout v0.5.3

Create a conda environment using, e.g. `micromamba`_::

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